4-methylbenzenesulfonate; 1,2,4,5-tetramethyl-4-phenyl-piperidin-1-ium

Systemtic Name: 4-methylbenzenesulfonate; 1,2,4,5-tetramethyl-4-phenyl-piperidin-1-ium Openeye Name: 4-methylbenzenesulfonate; 1,2,4,5-tetramethyl-4-phenyl-piperidin-1-ium CAS Name: 4-methylbenzenesulfonate; 1,2,4,5-tetramethyl-4-phenylpiperidin-1-ium IUPAC Name: 4-methylbenzenesulfonate; 1,2,4,5-tetramethyl-4-phenylpiperidin-1-ium Traditional Name: 1,2,4,5-tetramethyl-4-phenyl-piperidin-1-ium tosylate Formula: C22H31NO3S MolecularWeight: 389.55144

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(C[NH+]1C)C)(C)C2=CC=CC=C2.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC1CC(C(C[NH+]1C)C)(C)C2=CC=CC=C2.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C15H23N.C7H8O3S/c1-12-11-16(4)13(2)10-15(12,3)14-8-6-5-7-9-14;1-6-2-4-7(5-3-6)11(8,9)10/h5-9,12-13H,10-11H2,1-4H3;2-5H,1H3,(H,8,9,10)